SCHEMBL7094083

SCHEMBL7094083

CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
POLB P06746 2/20 0.52
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
CYP17A1 P05093 2/20 0.48
PSMB8 P28062 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
NAMPT P43490 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAP4K4 O95819 1/20 0.43
KIT P10721 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
F2 P00734 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11900140 0.83 LMNA (0.52) LMNAPOLBCYP17A1FFAR4RXFP1
SCHEMBL7081238 0.81 RXFP1 (0.57) LMNAPOLBNAMPTRXFP1GAA
SCHEMBL3790541 0.81 CYP17A1 (0.50) BRD4CREBBPCYP17A1PSMB8NAMPT
SCHEMBL28456035 0.81 P2RY14 (0.42) LMNAPOLBBRD4CYP17A1PSMB8
SCHEMBL15139200 0.80 CYP17A1 (0.52) BRD4CREBBPCYP17A1PSMB8NAMPT
SCHEMBL5964783 0.80 ALDH1A1 (0.51) LMNAPOLBMAPTTDP1FFAR4
SCHEMBL18570243 0.79 CYP17A1 (0.61) CYP17A1PSMB8MAPTNAMPTMAP4K4
SCHEMBL28609210 0.79 LMNA (0.46) LMNAPOLBMAPTTDP1RXFP1
SCHEMBL20865536 0.79 CYP17A1 (0.68) BRD4CREBBPCYP17A1PSMB8NAMPT
SCHEMBL20847486 0.78 CYP17A1 (0.51) BRD4CREBBPCYP17A1PSMB8NAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370558-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-17 EP disclosed
WO-2002059117-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed